1. Barcelona Supercomputing Center

Search        

Start a new search
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required15-Jul-2025CH4_M06-2X_6-311+Gdp_optMulks, FlorianOrca; 5.0.4; RELEASEGeometry optimizationDFT--40.42712212; Eh
Login required15-Jul-2025CH4_M062X_aug-cc-pVDZ_optMulks, FlorianOrca; 5.0.4; RELEASEGeometry optimizationDFT--40.42706806; Eh
Login required15-Jul-2025CH4_BP86_def2-TZVP_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFTdef2-TZVP; def2-TZVP/C; def2/J-40.53007194; Eh
Login required15-Jul-2025CH4_CCSDT_aug-cc-pV5Z_hessMulks, FlorianOrca; 5.0.4; RELEASESingle point MinimumDFT--40.42712213; Eh
Login required15-Jul-2025CH4_CCSDT_aug-cc-pV5Z_optMulks, FlorianOrca; 5.0.4; RELEASEGeometry optimizationDFT--40.42706806; Eh
Login required15-Jul-2025CH4_BP86_def2-TZVP_hessMulks, FlorianOrca; 5.0.4; RELEASESingle point MinimumDFT--40.42712213; Eh
Login required15-Jul-2025CH3_revDSD-PBEP86_2021_def2-QZVP_spMulks, FlorianOrca; 6.0.0; RELEASESingle pointDFTdef2-QZVP; def2-TZVP/C; def2/J-39.68462450124762; Eh
Login required15-Jul-2025CH3_r2SCAN-3C_def2-QZVP_spMulks, FlorianOrca; 5.0.4; RELEASESingle pointDFTdef2-QZVP; def2-TZVP/C; def2/J-39.83163112; Eh
Login required15-Jul-2025CH3_revDSD-PBEP86_2021_def2-QZVP_hessMulks, FlorianOrca; 6.0.0; RELEASESingle point MinimumDFT--39.74849369715746; Eh
Login required15-Jul-2025CH3_revDSD-PBEP86_2021_def2-QZVP_optMulks, FlorianOrca; 6.0.0; RELEASEGeometry optimizationDFT--39.71025707046534; Eh
Results 201-210 of 510 (Search time: 0.001 seconds).

Discover